(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2008). E64, o924 [ doi:10.1107/S1600536808011586 ]

2-[1-(4-Ethoxyphenyl)-2-oxo-4-styrylazetidin-3-yl]isoindoline-1,3-dione

M. Akkurt, S. Karaca, A. A. Jarrahpour, M. Zarei and O. Büyükgüngör

Key indicators

Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.003 Å
R factor = 0.042
wR factor = 0.100
Data-to-parameter ratio = 16.5

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT230_ALERT_2_B Hirshfeld Test Diff for    C4     -   C5      ..       9.85 su   

Alert level C
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for        C24     
PLAT601_ALERT_2_C Structure Contains Solvent Accessible VOIDS of .      66.00 A   3 
PLAT716_ALERT_1_C H...A   Unknown or Inconsistent Label ..........      C~G~1     
                    H9     C~G~1                                               
PLAT716_ALERT_1_C H...A   Unknown or Inconsistent Label ..........      C~G~2     
                    H19C   C~G~2                                               
PLAT717_ALERT_1_C D...A   Unknown or Inconsistent Label ..........      C~G~1     
                    C9     C~G~1                                               
PLAT717_ALERT_1_C D...A   Unknown or Inconsistent Label ..........      C~G~2     
                    C19    C~G~2                                               
PLAT718_ALERT_1_C D-H..A  Unknown or Inconsistent Label ..........      C~G~1     
                    C9     H9     C~G~1                                        
PLAT718_ALERT_1_C D-H..A  Unknown or Inconsistent Label ..........      C~G~2     
                    C19    H19C   C~G~2                                        

Alert level G
PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature        293 K    
PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature .        293 K    
PLAT793_ALERT_2_G Check the Absolute Configuration of C9     .....          S      
PLAT793_ALERT_2_G Check the Absolute Configuration of C11    .....          R      

   0 ALERT level A = In general: serious problem
   1 ALERT level B = Potentially serious problem
   8 ALERT level C = Check and explain
   4 ALERT level G = General alerts; check

   8 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   5 ALERT type 2 Indicator that the structure model may be wrong or deficient
   0 ALERT type 3 Indicator that the structure quality may be low
   0 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check